[(2S)-heptan-2-yl] dodecanoate | 55194-06-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [(2S)-heptan-2-yl] dodecanoate
• CAS: 55194-06-4
• 化学式: C₁₉H₃₈O₂
• 分子量: 298.51
• InChiKey: GQDYTVZBBZKSIZ-SFHVURJKSA-N

物化性质

• 沸点：
  340.7±10.0 °C(Predicted)
• 密度：
  0.862±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  21
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-庚醇 、 2,2,2-三氟月桂酸乙酯 以 乙醚 为溶剂， 反应 19.5h， 生成 [(2R)-heptan-2-yl] dodecanoate 、 [(2S)-heptan-2-yl] dodecanoate
  参考文献：
  名称：

  Enzyme reactions in apolar solvents. The resolution of branched and unbranched 2-alkanols by porcine pancreatic lipase.

  摘要：

  Straight-chain and branched 2-alkanols were subjected to enzyme catalyzed transesterification in organic solvent using porcine pancreatic lipase, high enantioselectivity being generally observed. The method was applied to the synthesis of (R)-(-)-9-hydroxy-(E)-decenoic acid, a component of the queen bee mandibular gland pheromone.

  DOI：

  10.1016/s0040-4020(01)96905-4

文献信息

• Enzyme reactions in apolar solvents. The resolution of branched and unbranched 2-alkanols by porcine pancreatic lipase.
  作者：Brian Morgani、Allan C. Oehlschlager、Thomas M. Stokes

  DOI：10.1016/s0040-4020(01)96905-4

  日期：1991.1

  Straight-chain and branched 2-alkanols were subjected to enzyme catalyzed transesterification in organic solvent using porcine pancreatic lipase, high enantioselectivity being generally observed. The method was applied to the synthesis of (R)-(-)-9-hydroxy-(E)-decenoic acid, a component of the queen bee mandibular gland pheromone.